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  1. 1161

    Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines: A Computational Study by Ricardo D. Páez-López, Miguel Á. Gómez-Soto, Héctor F. Cortés-Hernández, Alejandro Solano-Peralta, Miguel Castro, Peter M. H. Kroneck, Martha E. Sosa-Torres

    Published 2025-01-01
    “…The DFT calculations show that (i) <sup>3</sup>O<sub>2</sub> abstracts a hydrogen atom from the α-pyridine aliphatic C-H moiety, introducing a double bond regio-selectively at the C<sub>7</sub>N<sub>8</sub> position, via the hydrogen atom transfer (HAT) mechanism, (ii) O<sub>2</sub> does not coordinate to the iron center to generate a high-valent Fe oxo species observed in enzymes and biomimetic complexes, and (iii) the experimental activation parameters (ΔH<sup>≠</sup> = 20.38 kcal mol<sup>−1</sup>, ΔS<sup>≠</sup> = −0.018 kcal mol<sup>−1</sup> K<sup>−1</sup>) fall within in the range of values reported for HAT reactions and align well with the computational results for the activated complex [Fe<sup>II</sup>L<sup>3</sup><sub>N8•</sub>]<sup>2+</sup>···<sup>3</sup>O<sub>2</sub>.…”
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  2. 1162

    Application of Visual Guidance Design of Tourist City Combined with Deep Learning Computer Visual Symbols by Jiaying Cai, Kai Liu

    Published 2022-01-01
    “…In recent years, computer vision has received rapid attention and development, and it also represents the most cutting-edge research direction of deep learning. …”
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    Effect of Computer Technology Adoption on Sales Volume in Selected Supermarkets in Kampala Central Division, Uganda by Rugasira, Jack, Moses, Agaba, Kyabarongo, Benon

    Published 2023
    Subjects: “…Computer Technology Adoption, Kampala Central Division, Sales Volume, Super Markets, Uganda…”
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  5. 1165

    Interface : calculus and the computer/ by Smith,David

    Published 1984
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    Book
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    Permafrost pore structure and its influence on microbial diversity: Insights from X-ray computed tomography by Nathan D. Blais, Joy M. O’Brien, Hannah Holland-Moritz, Lauren Farnsworth, Robyn A. Barbato, Thomas A. Douglas, Alexandra Contosta, Julie Bobyock, Erin C. Rooney, Taylor Sullivan, Jessica Gilman Ernakovich

    Published 2025-02-01
    “…To quantify soil pore characteristics, we scanned intact permafrost using X-ray computed tomography. The Euler characteristic number was used to measure pore connectivity and serve as a proxy for potential hydrological connectivity, as direct measurement of hydrological connectivity was not possible. …”
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    So to Speak: A Computational and Empirical Investigation of Lexical Cohesion of Non-Literal and Literal Expressions in Text by Alexis Palmer, Caroline Sporleder, Linlin Li

    Published 2012-12-01
    “…This investigation is undertaken from the perspective of computational linguistics. We aim both to model this cohesion computationally and to support our approach to computational modeling with empirical data.…”
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    Longitudinal displacement in viscoelastic arteries:A novel fluid-structure interaction computational model, and experimental validation by Martina Bukač, Sunčica Čanić

    Published 2012-12-01
    “…&nbsp; &nbsp; This work presents a first step in understanding the role of longitudinal displacement in physiology and pathophysiology of arterial wall mechanicsusing computer simulations.…”
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  18. 1178

    Some Novel Sixth-Order Iteration Schemes for Computing Zeros of Nonlinear Scalar Equations and Their Applications in Engineering by M. A. Rehman, Amir Naseem, Thabet Abdeljawad

    Published 2021-01-01
    “…In this paper, we propose two novel iteration schemes for computing zeros of nonlinear equations in one dimension. …”
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    Localization of the Vertical Part of the Facial Nerve in the High-Resolution Computed Tomography During Pediatric Cochlear Implantation by Mahmoud Mandour, Mohamed Amer, Saad Elzayat, Edoardo Covelli, Maurizio Barbara, Rasha Lotfy, Haitham H. Elfarargy, Mohamed Osama Tomoum

    Published 2024-01-01
    “…Two physicians evaluated the preoperative computed tomography images of 334 patients and determined the radiological type of the VPFN. …”
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